SYSTEM = O_22_H1-PBE+U
ISTART = 1

#Electronic
ENCUT=500.00
PREC=A 
ISMEAR=0;SIGMA=0.05;   
GGA = PE
EDIFF=1E-07
ISPIN = 2 #Spin polarized!
NELMIN= 6

#PBE+U
LDAU      = .TRUE.
LDAUTYPE  = 2
LDAUL     = -1   2    -1   -1
LDAUU     = 0.00 3.30 0.00 0.00
LDAUJ     = 0.00 0.00 0.00 0.00
LDAUPRINT = 2
LMAXMIX   = 4 

LASPH = .TRUE.

#Mixer
#AMIX      = 0.2
#BMIX      = 0.00001

#Ionic
EDIFFG=-1E-04;
IBRION=1
NSW=500                                                          
ISIF=3 

NCORE=4
LWAVE=.TRUE.
ADDGRID=.TRUE.
